化学学报 ›› 1994, Vol. 52 ›› Issue (6): 539-544. 上一篇    下一篇

研究论文

酞菁和酞菁铜的三阶非线性光学性质

封继康;李君;孙家钟   

  1. 吉林大学化学系;吉林大学理论化学研究所
  • 出版日期:1994-06-15 发布日期:1994-06-15

The nonlinear third-order optical properties of phthalocyanine and copper phthalocyanine

FENG JIKANG;LI JUN;SUN JIAZHONG   

  • Online:1994-06-15 Published:1994-06-15

用INDO/SDCI方法研究了酞菁和酞菁铜的电子结构, 紫外-可见光谱, 三阶非线性光学系数及其色散效应, 发现酞菁铜中Cu^2+对γ的贡献很小, 故酞菁与酞菁铜的γ几乎相等, 我们的计算结果对此进行了合理的解释。

关键词: 光学性质, 量子化学, 染料, 电子结构, 微扰论, 非线性光学, 微分重叠间忽略近似, 三阶导数, 酞菁 P, 酞菁

The electronic structure, UV-vis spectrum, nonlinear third-order optical susceptibility and dispersion of phthalocyanine(H2Pc) and copper phthalocyanine(CuPc) were studied by using INDO/SDCI method. It was discovered that the contribution of Cu2+ ion to g is very little in CuPc, so the g of CuPc is almost equal to g of H2Pc. It can be explained reasonably from the authors' calculated results.

Key words: OPTICAL PROPERTIES, QUANTUM CHEMISTRY, DYES, ELECTRONIC STRUCTURE, PERTURBATION THEORY, NON LINEAR OPTICS, INTERMEDIATE NEGLECT OF DIFFERENTIAL OVERLAP APPROXIMATION (IND, THIRD DERIVATIVE, ZINC PHTHALOCYANINE, PHTHALOCYANIN (=PHTHALOCYANINE)

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